ChemSpider 2D Image | 2-Amino-9-[(1S,2R,3R,4S)-2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentyl]-1,9-dihydro-6H-purin-6-one | C11H14FN5O3

2-Amino-9-[(1S,2R,3R,4S)-2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentyl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC11H14FN5O3
  • Average mass283.259 Da
  • Monoisotopic mass283.108063 Da
  • ChemSpider ID58806387

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Amino-9-[(1S,2R,3R,4S)-2-fluor-4-hydroxy-3-(hydroxymethyl)cyclopentyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[(1S,2R,3R,4S)-2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[(1S,2R,3R,4S)-2-fluoro-4-hydroxy-3-(hydroxyméthyl)cyclopentyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-[(1S,2R,3R,4S)-2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentyl]-1,9-dihydro- [ACD/Index Name]
131043-40-8 [RN]
2-Amino-9-((1S,2R,3R,4S)-2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentyl)-1H-purin-6(9H)-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.854
Molar Refractivity: 63.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.98
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.96
Polar Surface Area: 126 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 89.3±7.0 dyne/cm
Molar Volume: 140.7±7.0 cm3

Click to predict properties on the Chemicalize site


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